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{
"id": "jvasp-9224",
"created_at": "2022-09-04T14:37:11.187775Z",
"updated_at": "2022-09-04T14:37:11.187804Z",
"structure_string": "Mg2 Bi4 O12\n1.0\n0.000000 5.809676 -0.000795\n5.421057 0.000000 0.000000\n0.000000 -0.001003 -7.967243\nMg Bi O\n2 4 12\ndirect\n0.328520 0.461401 0.749992 Mg\n0.671481 0.961402 0.250008 Mg\n0.761441 0.489855 0.998402 Bi\n0.238560 0.989855 0.001598 Bi\n0.238561 0.989815 0.498417 Bi\n0.761441 0.489814 0.501584 Bi\n0.794740 0.321644 0.249995 O\n0.205262 0.821644 0.750005 O\n0.084675 0.340400 0.928319 O\n0.915326 0.840401 0.071681 O\n0.519789 0.213404 0.584649 O\n0.519771 0.213451 0.915338 O\n0.480231 0.713451 0.084662 O\n0.668329 0.618629 0.749987 O\n0.915388 0.840289 0.428246 O\n0.084613 0.340289 0.571754 O\n0.480213 0.713404 0.415351 O\n0.331672 0.118629 0.250013 O\n",
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{
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"updated_at": "2022-09-04T14:37:11.198990Z",
"structure_string": "Er6 Ta2 O14\n1.0\n-6.306750 -0.006187 0.007601\n0.865929 6.358841 -0.000480\n-0.040867 -2.189053 -7.187591\nEr Ta O\n6 2 14\ndirect\n0.735283 0.461788 0.115646 Er\n0.733918 0.456384 0.608363 Er\n0.544828 0.992604 0.750034 Er\n0.455173 0.007395 0.249966 Er\n0.266082 0.543616 0.391637 Er\n0.264717 0.538212 0.884354 Er\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.293809 0.926756 0.947445 O\n0.074581 0.335148 0.608669 O\n0.093519 0.047978 0.262733 O\n0.445036 0.652990 0.165711 O\n0.461124 0.638747 0.658760 O\n0.538876 0.361253 0.341240 O\n0.706192 0.073244 0.052555 O\n0.906482 0.952022 0.737267 O\n0.925419 0.664852 0.391331 O\n0.079979 0.325237 0.050132 O\n0.920021 0.674763 0.949868 O\n0.706903 0.069814 0.481414 O\n0.554964 0.347010 0.834289 O\n0.293097 0.930186 0.518586 O\n",
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{
"id": "jvasp-81407",
"created_at": "2022-09-04T14:37:11.083884Z",
"updated_at": "2022-09-04T14:37:11.083908Z",
"structure_string": "Ba2 Na1 Sn1\n1.0\n-13.427556 -4.885357 -3.763523\n-10.017891 -2.815148 0.789451\n-5.877678 1.420086 -0.278251\nBa Na Sn\n2 1 1\ndirect\n0.749931 0.000084 -0.000083 Ba\n0.250068 -0.000082 0.000082 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 -0.000000 Sn\n",
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{
"id": "jvasp-8788",
"created_at": "2022-09-04T14:37:11.090299Z",
"updated_at": "2022-09-04T14:37:11.090328Z",
"structure_string": "Ba1 In2 Te4\n1.0\n7.071426 -0.075057 -0.000000\n-3.364589 6.220146 0.000000\n-1.853418 -3.072545 6.093849\nBa In Te\n1 2 4\ndirect\n0.750000 0.750000 0.000000 Ba\n0.250000 0.750001 0.500000 In\n0.750000 0.250000 0.500000 In\n0.181803 0.318198 0.500000 Te\n0.318197 0.818197 0.136395 Te\n0.681803 0.181804 0.863605 Te\n0.818197 0.681803 0.500000 Te\n",
"nsites": 7,
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"density": 5.466757079720676,
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"formula_full": "Ba1 In2 Te4",
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{
"id": "jvasp-11299",
"created_at": "2022-09-04T14:37:11.093307Z",
"updated_at": "2022-09-04T14:37:11.093333Z",
"structure_string": "Zn2 Cu2 F8\n1.0\n-4.956186 0.000615 0.152354\n-0.001135 -5.573983 -0.012007\n2.320807 2.775420 4.999144\nZn Cu F\n2 2 8\ndirect\n0.249485 0.201609 0.500844 Zn\n0.749511 0.798723 0.500865 Zn\n0.499505 0.000182 0.000867 Cu\n-0.000516 0.500159 0.000838 Cu\n0.330258 0.251413 0.231174 F\n0.177802 0.002887 0.716243 F\n0.668680 0.748892 0.770520 F\n0.168591 0.521095 0.770418 F\n0.821184 0.997481 0.285492 F\n0.321196 0.787417 0.285442 F\n0.830324 0.479247 0.231231 F\n0.677778 0.212866 0.716237 F\n",
"nsites": 12,
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"density": 4.864913911823991,
"density_atomic": 0.08576939157231744,
"volume": 139.9100515931964,
"volume_molar": 7.021316870275759,
"formula_full": "Zn2 Cu2 F8",
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{
"id": "jvasp-10482",
"created_at": "2022-09-04T14:37:11.115838Z",
"updated_at": "2022-09-04T14:37:11.115868Z",
"structure_string": "Cd2 Cu2 F8\n1.0\n4.900496 0.000000 -2.248094\n-1.031309 4.790747 -2.248094\n-0.013699 -0.016961 6.435346\nCd Cu F\n2 2 8\ndirect\n0.750001 0.750001 0.500002 Cd\n0.250000 0.250000 0.500001 Cd\n0.500000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.946203 0.446203 0.255604 F\n0.690600 0.190600 0.744398 F\n0.053798 0.553798 0.744398 F\n0.190599 0.053798 0.744398 F\n0.309401 0.809401 0.255604 F\n0.446203 0.309401 0.255604 F\n0.809401 0.946203 0.255605 F\n0.553798 0.690600 0.744398 F\n",
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"density": 5.552070030655091,
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"formula_full": "Cd2 Cu2 F8",
"formula_reduced": "CdCuF4",
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"spacegroup": 140
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{
"id": "jvasp-10556",
"created_at": "2022-09-04T14:37:11.116872Z",
"updated_at": "2022-09-04T14:37:11.116908Z",
"structure_string": "Hf2 Ge2 O8\n1.0\n4.506213 -0.000000 -1.893897\n-0.795978 4.435355 -1.893897\n-0.000737 -0.000881 6.306088\nHf Ge O\n2 2 8\ndirect\n0.374999 0.125000 0.750000 Hf\n0.624999 0.875001 0.250000 Hf\n0.874999 0.625001 0.749999 Ge\n0.125000 0.375000 0.250000 Ge\n0.312716 0.467078 0.085062 O\n0.617983 0.812718 0.585061 O\n0.967077 0.272345 0.585061 O\n0.772345 0.117984 0.085061 O\n0.227654 0.882017 0.914938 O\n0.032922 0.727656 0.414938 O\n0.382016 0.187284 0.414938 O\n0.687282 0.532923 0.914938 O\n",
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"volume": 126.02256351685092,
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"formula_full": "Hf2 Ge2 O8",
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"spacegroup": 88
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{
"id": "jvasp-55570",
"created_at": "2022-09-04T14:37:11.158154Z",
"updated_at": "2022-09-04T14:37:11.158163Z",
"structure_string": "Na4 Sb4 O12\n1.0\n5.443955 0.000000 0.000000\n-0.000000 5.523831 0.000000\n0.000000 0.000000 7.760824\nNa Sb O\n4 4 12\ndirect\n0.509512 0.542843 0.250000 Na\n0.009512 0.957157 0.750000 Na\n0.990487 0.042843 0.250000 Na\n0.490487 0.457157 0.750000 Na\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.905711 0.527935 0.750000 O\n0.405711 0.972065 0.250000 O\n0.699760 0.297175 0.048654 O\n0.199760 0.202824 0.951346 O\n0.800239 0.797175 0.451346 O\n0.199760 0.202824 0.548654 O\n0.300240 0.702824 0.951346 O\n0.800239 0.797175 0.048654 O\n0.094288 0.472065 0.250000 O\n0.699760 0.297175 0.451346 O\n0.300240 0.702824 0.548654 O\n0.594288 0.027935 0.750000 O\n",
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{
"id": "jvasp-9735",
"created_at": "2022-09-04T14:37:11.180720Z",
"updated_at": "2022-09-04T14:37:11.180751Z",
"structure_string": "Tb4 Cu4 S8\n1.0\n0.000000 6.377058 0.009707\n7.029975 0.000000 0.000000\n0.000000 -0.863632 -6.705889\nTb Cu S\n4 4 8\ndirect\n0.306595 0.047891 0.698576 Tb\n0.693406 0.547891 0.801423 Tb\n0.693406 0.952110 0.301423 Tb\n0.306595 0.452110 0.198576 Tb\n0.081485 0.840012 0.051157 Cu\n0.918515 0.159989 0.948842 Cu\n0.918515 0.340012 0.448842 Cu\n0.081485 0.659989 0.551157 Cu\n0.426183 0.726494 0.501186 S\n0.573817 0.226494 0.998814 S\n0.573817 0.273506 0.498814 S\n0.426183 0.773507 0.001186 S\n0.093666 0.386768 0.783297 S\n0.093666 0.113232 0.283297 S\n0.906335 0.613232 0.216702 S\n0.906335 0.886769 0.716702 S\n",
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{
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"structure_string": "Na1 Tl2 Pd1\n1.0\n0.000009 3.526414 3.526430\n3.526430 0.000006 3.526434\n3.526431 3.526418 0.000006\nNa Tl Pd\n1 2 1\ndirect\n0.250000 0.250000 0.250001 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Tl\n0.750000 0.750000 0.750000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:11.185901Z",
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"structure_string": "Nb1 Sn1 Ru2\n1.0\n-9.117269 -0.000000 -5.263858\n-5.843988 -1.158194 -0.405632\n-4.441107 2.809750 -2.835491\nNb Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 -0.000000 -0.000000 Sn\n0.769779 -0.000000 -0.000000 Ru\n0.230222 -0.000000 -0.000000 Ru\n",
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{
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"structure_string": "Sr1 La1 Zr2\n1.0\n0.000000 3.905791 3.905791\n3.905791 0.000000 3.905791\n3.905791 3.905791 0.000000\nSr La Zr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n",
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}
]
}